[3-[2-butyl-6-(4-methylpiperidin-1-yl)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate

Systemtic Name: [3-[2-butyl-6-(4-methylpiperidin-1-yl)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate Openeye Name: [3-[2-butyl-6-(4-methyl-1-piperidyl)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] hydrogen carbonate CAS Name: carbonic acid [3-[2-butyl-6-(4-methyl-1-piperidinyl)-1-benzimidazolyl]-2-methyl-6-phenylphenyl] ester IUPAC Name: [3-[2-butyl-6-(4-methylpiperidin-1-yl)benzimidazol-1-yl]-2-methyl-6-phenylphenyl] hydrogen carbonate Traditional Name: carbonic acid [3-[2-butyl-6-(4-methylpiperidino)benzimidazol-1-yl]-2-methyl-6-phenyl-phenyl] ester Formula: C31H35N3O3 MolecularWeight: 497.6279

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)C=C(C=C2)N5CCC(CC5)C

Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)C=C(C=C2)N5CCC(CC5)C

InChI

InChI=1S/C31H35N3O3/c1-4-5-11-29-32-26-14-12-24(33-18-16-21(2)17-19-33)20-28(26)34(29)27-15-13-25(23-9-7-6-8-10-23)30(22(27)3)37-31(35)36/h6-10,12-15,20-21H,4-5,11,16-19H2,1-3H3,(H,35,36)